Dyes and Pigments

Photophysical properties of arylcarbonitrile derivatives: Synthesis, absorption and emission spectra, and quantum chemical studies

Y Shigemitsu, BC Wang, Y Nishimura, Y Tominaga

Index: Shigemitsu, Yasuhiro; Wang, Bo-Cheng; Nishimura, Yasuhisa; Tominaga, Yoshinori Dyes and Pigments, 2012 , vol. 92, # 1 p. 580 - 587

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Abstract

A new series of aromatic cyanovinyl compounds were synthesized via one-pot reactions of tri-or tetracyanoethylenes with nucleophilic reagents. The ground-state geometries and UV– vis absorption spectra of the compounds were computationally analyzed by means of density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, respectively. None of the compounds were fluorescent in solution, but some ...